Information card for entry 7244093

Structure parameters

• Formula: C20 H18 N2 O5
• Calculated formula: C20 H18 N2 O5
• Title of publication: Role of imine isomerization in the stereocontrol of the Staudinger reaction between ketenes and imines.
• Authors of publication: Cossío, Fernando P; de Cózar, Abel; Sierra, Miguel A.; Casarrubios, Luis; Muntaner, Jaime G.; Banik, Bimal K.; Bandyopadhyay, Debasish
• Journal of publication: RSC advances
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 104 - 117
• a: 20.945 ± 0.004 Å
• b: 8.7506 ± 0.0013 Å
• c: 21.976 ± 0.004 Å
• α: 90°
• β: 116.49 ± 0.02°
• γ: 90°
• Cell volume: 3604.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No